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1-(4-nitrobenzyl)-4-(3-pyridinylmethyl)piperazinediium oxalate

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1-(4-nitrobenzyl)-4-(3-pyridinylmethyl)piperazinediium oxalate
SpectraBase Compound ID Eh4uWQpJM5Z
InChI InChI=1S/C17H20N4O2.C2H2O4/c22-21(23)17-5-3-15(4-6-17)13-19-8-10-20(11-9-19)14-16-2-1-7-18-12-16;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)
InChIKey VDOLIOKNYQGICX-UHFFFAOYSA-N
Mol Weight 402.41 g/mol
Molecular Formula C19H22N4O6
Exact Mass 402.153934 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ITITD7WyFY
Name 1-(4-nitrobenzyl)-4-(3-pyridinylmethyl)piperazinediium oxalate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H20N4O2.C2H2O4/c22-21(23)17-5-3-15(4-6-17)13-19-8-10-20(11-9-19)14-16-2-1-7-18-12-16;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)
InChIKey VDOLIOKNYQGICX-UHFFFAOYSA-N
NMR Offset 18.416
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_17076
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9030676; UBI_ID: UBI-017079
Temperature 313 °C